SCHEMBL20068656

SCHEMBL20068656

C=C/C(=C\C)c1cc(C(=O)c2cc(-c3ccncc3)cc(-c3ccncc3)c2)cc(-c2ccncc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 3/20 0.35
CDK8 P49336 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ERN1 O75460 2/20 0.34
CDC7 O00311 1/20 0.34
LMNA P02545 2/20 0.33
LTA4H P09960 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.32
CREBBP Q92793 1/20 0.32
ITK Q08881 1/20 0.32
P4HB P07237 1/20 0.32
IP6K1 Q92551 1/20 0.32
IP6K3 Q96PC2 1/20 0.32
IP6K2 Q9UHH9 1/20 0.32
CHUK O15111 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL133997 0.80 LMNA (0.50) CCNCCDK8KMT2AMEN1HDAC1
SCHEMBL20221453 0.74 MAPT (0.39) CCNCCDK8HDAC1HDAC6ERN1
SCHEMBL20120111 0.73 SMN1; SMN2 (0.40) KMT2AMEN1LTA4HSMN1; SMN2
SCHEMBL12786457 0.73 SMN1; SMN2 (0.40) KMT2AMEN1LTA4HSMN1; SMN2
SCHEMBL19774539 0.72 LMNA (0.33) CCNCCDK8ERN1LMNAMAPT
SCHEMBL12071049 0.71 KMO (0.51) MEN1ERN1LMNASMN1; SMN2MAPT
SCHEMBL10028645 0.69 KMO (0.57) HDAC1LMNASMN1; SMN2MAPT
SCHEMBL5924950 0.68 NAPRT (0.60) CCNCCDK8HDAC1HDAC6CDC7
SCHEMBL14243405 0.68 TPMT (0.43) LMNASMN1; SMN2MAPT
SCHEMBL17089053 0.68 NAPRT (0.60) CCNCCDK8HDAC1HDAC6CDC7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3526227-B1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-06-03 EP disclosed
WO-2018069196-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-04-19 WO disclosed